N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide

C15H13ClN2O — CID 6876540

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O/c1-11-2-6-13(7-3-11)15(19)18-17-10-12-4-8-14(16)9-5-12/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyNRWQQRUMXPWHTJ-LICLKQGHSA-N
MW272.74 g/mol
LogP3.41
Rot. Bonds3

About N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide

N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide (PubChem CID 6876540) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide
PubChem CID6876540
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O/c1-11-2-6-13(7-3-11)15(19)18-17-10-12-4-8-14(16)9-5-12/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyNRWQQRUMXPWHTJ-LICLKQGHSA-N
XLogP3.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide (CID 6876540) is N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is NRWQQRUMXPWHTJ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-11-2-6-13(7-3-11)15(19)18-17-10-12-4-8-14(16)9-5-12/h2-10H,1H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 272.74 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 6876540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).